(3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one
TL;DR: (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one (CAS 83124-74-7) is a chemical compound with molecular formula C6H7Cl3O2 and molecular weight 215.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one
Also Known As: (E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one, 4-ethoxy-1,1,1-trichloro-3-buten-2-one, (3E)-1,1,1-TRICHLORO-4-ETHOXYBUT-3-EN-2-ONE, TERT-PENTYLVINYLETHER, (E)-1,1,1-TRICHLORO-4-ETHOXY-BUT-3-EN-2-ONE
| Molecular Formula | C6H7Cl3O2 |
|---|---|
| Molecular Weight | 215.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.95116 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 83124-74-7 |
|---|---|
| SMILES | CCO/C=C/C(=O)C(Cl)(Cl)Cl |
| InChIKey | VKNLVLNOHCTKII-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one (CAS 83124-74-7), with molecular formula C6H7Cl3O2 and molecular weight 215.95 g/mol. IUPAC: (E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one.
Chemical Property Profile of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one
Property Insights of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one?
The CAS number of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one is 83124-74-7.
What is the molecular formula of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one?
The molecular formula of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one is C6H7Cl3O2.
What is the molecular weight of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one?
The molecular weight of (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one is 215.95 g/mol.
Where can I buy (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one?
You can request a quote for (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.